2-[4-(4-bromanylphenoxy)phenyl]sulfanyl-2-(oxan-4-yl)ethanoic acid

Systemtic Name: 2-[4-(4-bromanylphenoxy)phenyl]sulfanyl-2-(oxan-4-yl)ethanoic acid Openeye Name: 2-[4-(4-bromophenoxy)phenyl]sulfanyl-2-tetrahydropyran-4-yl-acetic acid CAS Name: 2-[[4-(4-bromophenoxy)phenyl]thio]-2-(4-oxanyl)acetic acid IUPAC Name: 2-[4-(4-bromophenoxy)phenyl]sulfanyl-2-(oxan-4-yl)acetic acid Traditional Name: 2-[[4-(4-bromophenoxy)phenyl]thio]-2-tetrahydropyran-4-yl-acetic acid Formula: C19H19BrO4S MolecularWeight: 423.32076

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(C(=O)O)SC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCC1C(C(=O)O)SC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrO4S/c20-14-1-3-15(4-2-14)24-16-5-7-17(8-6-16)25-18(19(21)22)13-9-11-23-12-10-13/h1-8,13,18H,9-12H2,(H,21,22)